DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:58 UTC
Update Date	2025-03-21 18:02:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036066
Frequency	98.3
Structure
Chemical Formula	C₉H₁₂N₆O₂
Molecular Mass	236.1022
SMILES	CC(N)C(=O)C1=Nc2c([nH]c(N)nc2=O)NC1
InChI Key	STHAXMMNWIWJNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives ketimines ketones monoalkylamines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine carbonyl group imine pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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